SCHEMBL7324747

SCHEMBL7324747

[CH2]C(OC)(OC)c1ccc(OCC)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.56
LTA4H P09960 2/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PLK1 P53350 1/20 0.46
KIF11 P52732 1/20 0.45
PARP10 Q53GL7 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
MAPT P10636 2/20 0.43
ADRA2A P08913 2/20 0.43
NPC1 O15118 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL635142 0.79 NQO1 (0.61) NQO1LTA4HTSHRTDP1PLK1
SCHEMBL6205456 0.78 TP53 (0.49) NQO1LTA4HTDP1MAPTKDM4E
SCHEMBL18910985 0.78 NQO1 (0.58) NQO1LTA4HTSHRTDP1PLK1
SCHEMBL13211690 0.76 NQO1 (0.70) NQO1LTA4HTSHRTDP1PLK1
SCHEMBL11547049 0.75 NQO1 (0.61) NQO1LTA4HTSHRTDP1PLK1
1,4-Diethoxybenzene SCHEMBL27616183 0.75 NQO1 (0.88) NQO1LTA4HTSHRTDP1PLK1
1,4-Diethoxybenzene SCHEMBL28186701 0.75 NQO1 (1.00) NQO1LTA4HTSHRTDP1PLK1
1,4-Diethoxybenzene SCHEMBL124015 0.75 NQO1 (1.00) NQO1LTA4HTSHRTDP1PLK1
SCHEMBL13311537 0.74 NQO1 (0.67) NQO1LTA4HTSHRTDP1PLK1
SCHEMBL3035998 0.74 NQO1 (0.67) NQO1LTA4HTSHRTDP1PLK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0660715-A1 CARBOSTYRIL DERIVATIVES AS ANTIARRHYTHMIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-07-05 EP disclosed
WO-1994006427-A1 CARBOSTYRIL DERIVATIVES AS ANTIARRHYTHMIC AGENTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-31 WO disclosed